N-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine

C6H8F3N3 — CID 162605498

IUPACN-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine
SMILESCCNc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-2-10-5-4(3-11-12-5)6(7,8)9/h3H,2H2,1H3,(H2,10,11,12)
InChIKeyQLTTVTIYEXJNRM-UHFFFAOYSA-N
MW179.14 g/mol
LogP1.86
Rot. Bonds2

About N-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine

N-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine (PubChem CID 162605498) has the molecular formula C6H8F3N3 and a molecular weight of 179.14 g/mol. Its IUPAC name is N-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine
PubChem CID162605498
Molecular FormulaC6H8F3N3
Molecular Weight179.14 g/mol
Exact Mass179.07
IUPAC NameN-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine
SMILESCCNc1[nH]ncc1C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-2-10-5-4(3-11-12-5)6(7,8)9/h3H,2H2,1H3,(H2,10,11,12)
InChIKeyQLTTVTIYEXJNRM-UHFFFAOYSA-N
XLogP1.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1H-pyrazol-3-amine
CID 14818493
6-(Trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
CID 135408619
N-propyl-4-(trifluoromethylsulfanyl)-1H-pyrazol-5-amine
CID 54535075
N-(4-fluoro-1H-pyrazol-5-yl)-N'-methylmethanimidamide
CID 89419649
4-fluoro-N-methyl-1H-pyrazol-5-amine
CID 89419664
N-(4-fluoro-1H-pyrazol-5-yl)ethanethioamide
CID 89419997
N,N-dimethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine
CID 123472858
4-methyl-2-N-(4-methyl-1H-pyrazol-5-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 150173515
N-methyl-4-(trifluoromethyl)-1H-pyrazol-5-amine
CID 162544743
4-methyl-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1H-pyrazol-5-amine
CID 166703183
N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]formamide
CID 174870762
N-[4-(trifluoromethyl)-1H-pyrazol-5-yl]methanethioamide
CID 175489565

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine?
The IUPAC name of N-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine (CID 162605498) is N-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine is CCNc1[nH]ncc1C(F)(F)F.
What is the InChIKey of N-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine?
The InChIKey is QLTTVTIYEXJNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-2-10-5-4(3-11-12-5)6(7,8)9/h3H,2H2,1H3,(H2,10,11,12).
What are the key properties of N-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine?
N-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine has a molecular weight of 179.14 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(trifluoromethyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 162605498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).